SCHEMBL9998261

SCHEMBL9998261

CC(CN1CCN(c2ncccn2)CC1)NC(=O)Cc1sc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9998826 0.95 MEN1 (0.52) MAPTKMT2A
SCHEMBL4498016 0.95 MEN1 (0.52) MAPTKMT2A
SCHEMBL4721901 0.82 KMT2A (0.49) MAPTKMT2ANPSR1
SCHEMBL4724944 0.78 KMT2A (0.52) MAPTKMT2ANPSR1
SCHEMBL4765488 0.78 KMT2A (0.52) MAPTKMT2ANPSR1
SCHEMBL9998442 0.77 NR4A2 (0.54)
SCHEMBL9998326 0.76 KDM4E (0.48)
SCHEMBL4763232 0.71 P2RX3 (0.62)
SCHEMBL978395 0.69 KMT2A (0.75) MAPTKMT2ANPSR1
SCHEMBL9998699 0.68

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed